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CAS RN: 1433286-70-4
CREB inhibitor (666-15)
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260520 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251012 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251024 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250505 | 5mg / 10mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1433286-70-4
- Purity/Analytical Methods: >99.0%
1433286-70-4 / 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide;hydrochloride
Basic Information
CAS
1433286-70-4
Multi CAS
No
Molecular Formula
C33H31Cl2N3O5
Molecular Weight
620.500000
Exact Mass
619.164077
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN.Cl
InChI
InChI=1S/C33H30ClN3O5.ClH/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35;/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40);1H
InChIKey
LELLCPHHYHLWBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
26
Fraction Csp3
0.15
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
173.21
TPSA
122.91
LogP / Solubility
WLOGP
6.56
MLOGP
5.83
XLogP3
6.56
Consensus LogP
6.32
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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